(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 079
File name: alatis_output_compound.sdf
|
Formula: C31H39N3O5 Compound mass: 533.6568999999987 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.00
List of identified carbohydrate fragments:
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 079 | 3TOH 3TOG |
| 076 | 3TOF |
| 79L | 5L5P 5L6A |
| 04C | 4QWX 4QZ1 4QZ6 3UNB 4QZ2 4QZ3 4QZX 4QXJ 5L6B 5CGI 3UNF 3UN4 5L5D 4QZ5 5L5U 4QZ7 4QZ0 4QZW 5L63 4QZ4 5L5X |
| GW2 | 6HVY |
Citation:
- Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y
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- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.